N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C19H21Cl2N3O — CID 109027205

IUPACN-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-15-6-7-18(17(21)14-15)22-19(25)8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyTXPMCHUDFPYCQC-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.14
Rot. Bonds5

About N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 109027205) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID109027205
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2N3O/c20-15-6-7-18(17(21)14-15)22-19(25)8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25)
InChIKeyTXPMCHUDFPYCQC-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(4-chloro-2-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30099925
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
N-(2-tert-butylphenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 109029785
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 109027205) is N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is TXPMCHUDFPYCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-15-6-7-18(17(21)14-15)22-19(25)8-9-23-10-12-24(13-11-23)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 378.30 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109027205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).